[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H28N2O3/c1-3-4-7-15-10-12-16(13-11-15)21(25)26-14(2)19-22-18-9-6-5-8-17(18)20(24)23-19/h5-6,8-9,14-16H,3-4,7,10-13H2,1-2H3,(H,22,23,24)/t14-,15?,16?/m1/s1